UCSF

ZINC43258796

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.59 0.5 -50.03 4 3 1 51 306.249 3
Hi High (pH 8-9.5) 0.59 0.15 -4.3 3 3 0 49 305.241 3
Mid Mid (pH 6-8) 0.59 2 -33.81 4 3 1 51 306.249 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )